ChemDiv1_022533
TL;DR: ChemDiv1_022533 (CAS 330179-57-2) is a chemical compound with molecular formula C26H23NO6S3 and molecular weight 541.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_022533, DivK1c_003797, CDS1_002757, BAS 00458911, BIM-0022460.P001
| Molecular Formula | C26H23NO6S3 |
|---|---|
| Molecular Weight | 541.07 g/mol |
| LogP | 5.2103 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 541.0687 |
| Heavy Atoms | 36 |
| Complexity | 1316.7031 |
Chemical Identifiers
| CAS Number | 330179-57-2 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=CC=C4)C=C(C=C3)OC)C |
Product Overview
ChemDiv1_022533 (CAS 330179-57-2), with molecular formula C26H23NO6S3 and molecular weight 541.07 g/mol. IUPAC: dimethyl 2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_022533
Property Insights of ChemDiv1_022533
The XLogP value of 5.2103 indicates that ChemDiv1_022533 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022533. Following Lipinski's Rule of Five, ChemDiv1_022533 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022533?
The CAS number of ChemDiv1_022533 is 330179-57-2.
What is the molecular formula of ChemDiv1_022533?
The molecular formula of ChemDiv1_022533 is C26H23NO6S3.
What is the molecular weight of ChemDiv1_022533?
The molecular weight of ChemDiv1_022533 is 541.07 g/mol.
Where can I buy ChemDiv1_022533?
You can request a quote for ChemDiv1_022533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022533?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.